N-[3-(butylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(butylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(butylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[3-[[butylamino(oxo)methyl]amino]propyl]-2-[(3,5-dimethylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(butylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(butylcarbamoylamino)propyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCCNC(=O)C1=CSC(=N1)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)NCCCNC(=O)C1=CSC(=N1)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H30N4O3S/c1-4-5-7-23-21(27)24-9-6-8-22-20(26)18-14-29-19(25-18)13-28-17-11-15(2)10-16(3)12-17/h10-12,14H,4-9,13H2,1-3H3,(H,22,26)(H2,23,24,27)